2,6-dimethyl-4-(1-thiophen-2-ylpropan-2-ylamino)pyridine-3-carboxylic acid

C15H18N2O2S — CID 81053770

IUPAC2,6-dimethyl-4-(1-thiophen-2-ylpropan-2-ylamino)pyridine-3-carboxylic acid
SMILESCc1cc(NC(C)Cc2cccs2)c(C(=O)O)c(C)n1
InChIInChI=1S/C15H18N2O2S/c1-9(7-12-5-4-6-20-12)17-13-8-10(2)16-11(3)14(13)15(18)19/h4-6,8-9H,7H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyBAEYKKSMGCEAIQ-UHFFFAOYSA-N
MW290.39 g/mol
LogP3.50
Rot. Bonds5

About 2,6-dimethyl-4-(1-thiophen-2-ylpropan-2-ylamino)pyridine-3-carboxylic acid

2,6-dimethyl-4-(1-thiophen-2-ylpropan-2-ylamino)pyridine-3-carboxylic acid (PubChem CID 81053770) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is 2,6-dimethyl-4-(1-thiophen-2-ylpropan-2-ylamino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2,6-dimethyl-4-(1-thiophen-2-ylpropan-2-ylamino)pyridine-3-carboxylic acid
PubChem CID81053770
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Name2,6-dimethyl-4-(1-thiophen-2-ylpropan-2-ylamino)pyridine-3-carboxylic acid
SMILESCc1cc(NC(C)Cc2cccs2)c(C(=O)O)c(C)n1
InChIInChI=1S/C15H18N2O2S/c1-9(7-12-5-4-6-20-12)17-13-8-10(2)16-11(3)14(13)15(18)19/h4-6,8-9H,7H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyBAEYKKSMGCEAIQ-UHFFFAOYSA-N
XLogP3.50
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-(1-thiophen-2-ylpropan-2-yl)quinolin-4-amine
CID 63540902
2-bromo-6-(1-thiophen-2-ylpropan-2-ylamino)benzoic acid
CID 114888224
4-(1-methoxypropan-2-ylamino)-2,6-dimethylpyridine-3-carboxylic acid
CID 81052577
3-chloro-4-(1-thiophen-2-ylpropan-2-ylamino)benzoic acid
CID 63293665
2-(1-thiophen-2-ylpropan-2-ylamino)-1,3-thiazole-4-carboxylic acid
CID 80568782
2,6-dimethyl-4-(2-methylpentan-3-ylamino)pyridine-3-carboxylic acid
CID 81051750
2,6-dimethyl-4-[1-(5-methylthiophen-2-yl)propan-2-ylamino]pyridine-3-carbothioamide
CID 81036465
2-methyl-6-(1-thiophen-2-ylpropan-2-ylamino)pyridine-4-carbothioamide
CID 114767664
6-amino-2-(1-thiophen-2-ylpropan-2-ylamino)-3H-quinazolin-4-one
CID 136809010
3-(1-thiophen-2-ylpropan-2-ylamino)propanoic acid
CID 63291768
2-chloro-5-methyl-4-N-(1-thiophen-2-ylpropan-2-yl)benzene-1,4-diamine
CID 115554957
1-(2,6-dimethyl-4-pyridinyl)-2-thiophen-2-ylethanol
CID 107502914

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-(1-thiophen-2-ylpropan-2-ylamino)pyridine-3-carboxylic acid?
The IUPAC name of 2,6-dimethyl-4-(1-thiophen-2-ylpropan-2-ylamino)pyridine-3-carboxylic acid (CID 81053770) is 2,6-dimethyl-4-(1-thiophen-2-ylpropan-2-ylamino)pyridine-3-carboxylic acid.
What is the SMILES notation for 2,6-dimethyl-4-(1-thiophen-2-ylpropan-2-ylamino)pyridine-3-carboxylic acid?
The canonical SMILES for 2,6-dimethyl-4-(1-thiophen-2-ylpropan-2-ylamino)pyridine-3-carboxylic acid is Cc1cc(NC(C)Cc2cccs2)c(C(=O)O)c(C)n1.
What is the InChIKey of 2,6-dimethyl-4-(1-thiophen-2-ylpropan-2-ylamino)pyridine-3-carboxylic acid?
The InChIKey is BAEYKKSMGCEAIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-9(7-12-5-4-6-20-12)17-13-8-10(2)16-11(3)14(13)15(18)19/h4-6,8-9H,7H2,1-3H3,(H,16,17)(H,18,19).
What are the key properties of 2,6-dimethyl-4-(1-thiophen-2-ylpropan-2-ylamino)pyridine-3-carboxylic acid?
2,6-dimethyl-4-(1-thiophen-2-ylpropan-2-ylamino)pyridine-3-carboxylic acid has a molecular weight of 290.39 g/mol, XLogP of 3.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-(1-thiophen-2-ylpropan-2-ylamino)pyridine-3-carboxylic acid is sourced from PubChem (CID 81053770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).